============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 12 0.900 -23.959 50.657 14.905 -99.200 -91.000 PHE 33 1.000 -10.831 64.871 8.396 -99.200 -91.000 TYR 39 0.840 3.173 51.938 18.345 -99.200 -91.000 PHE 44 1.000 10.326 39.972 24.717 -99.200 -91.000 TYR 51 0.840 -5.641 59.860 23.971 -99.200 -91.000 TYR 53 0.840 -5.778 65.175 19.858 -99.200 -91.000 PHE 67 1.000 -17.236 64.942 25.431 -99.200 -91.000 TYR 71 0.840 -16.978 62.428 19.775 -99.200 -91.000 HIS 74 0.900 -18.921 53.586 19.456 -99.200 -91.000 PHE 76 1.000 -9.220 53.725 14.120 -99.200 -91.000 PHE 86 1.000 4.150 61.555 7.215 -99.200 -91.000 TYR 94 0.840 0.436 63.152 10.322 -99.200 -91.000 PHE 103 1.000 -0.534 62.761 21.240 -99.200 -91.000 HIS 113 0.900 1.462 53.923 35.606 -99.200 -91.000 TRP 134 1.040 -22.800 58.311 6.366 -99.200 -91.000 TRP6 134 1.020 -23.679 59.240 8.350 -99.200 -91.000